Geometry & MOs

Info

ID:

170543

PubChem CID:

75249494

Reduced:

NO6C15H29 (1)

Stoich.:

AB6C15D29 (1)

Weight, g/mol:

634.289031

ΔHf, kcal/mol:

-297.75

Dipole, Da:

3.87

IP(EA), eV:

 -9.28(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(2-carboxy-3-phenylpropanoyl)amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)COCC(CNC(C)(C)C)O.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations